Geometry & MOs

Info

ID:	378525
PubChem CID:	134224612
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	558.211667
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	2.15
IP(EA), eV:	-9.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-methyl-1-[6-(2-methylpropylsulfonyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-1-yl]propan-2-yl]sulfonyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C)C(=O)NOC

DOS

IR

Vibrations